2-[[2-methoxy-5-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methyl-3-nitrophenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methyl-3-nitrophenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(4-methyl-3-nitro-phenyl)acryloyl]benzyl]thio]acetic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO6S/c1-13-3-4-14(9-17(13)21(25)26)5-7-18(22)15-6-8-19(27-2)16(10-15)11-28-12-20(23)24/h3-10H,11-12H2,1-2H3,(H,23,24)/b7-5+